2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine

C21H15N3O4 — CID 6047556

IUPAC2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine
SMILESO=[N+]([O-])c1cccc(/C=C/c2cccc(/C=C/c3cccc([N+](=O)[O-])c3)n2)c1
InChIInChI=1S/C21H15N3O4/c25-23(26)20-8-1-4-16(14-20)10-12-18-6-3-7-19(22-18)13-11-17-5-2-9-21(15-17)24(27)28/h1-15H/b12-10+,13-11+
InChIKeyDNPDMZSJBXJNBH-DCIPZJNNSA-N
MW373.37 g/mol
LogP5.24
Rot. Bonds6

About 2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine

2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine (PubChem CID 6047556) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine.

Molecular Properties

Compound Name2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine
PubChem CID6047556
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine
SMILESO=[N+]([O-])c1cccc(/C=C/c2cccc(/C=C/c3cccc([N+](=O)[O-])c3)n2)c1
InChIInChI=1S/C21H15N3O4/c25-23(26)20-8-1-4-16(14-20)10-12-18-6-3-7-19(22-18)13-11-17-5-2-9-21(15-17)24(27)28/h1-15H/b12-10+,13-11+
InChIKeyDNPDMZSJBXJNBH-DCIPZJNNSA-N
XLogP5.24
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.37
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine?
The IUPAC name of 2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine (CID 6047556) is 2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine.
What is the SMILES notation for 2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine?
The canonical SMILES for 2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine is O=[N+]([O-])c1cccc(/C=C/c2cccc(/C=C/c3cccc([N+](=O)[O-])c3)n2)c1.
What is the InChIKey of 2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine?
The InChIKey is DNPDMZSJBXJNBH-DCIPZJNNSA-N. The full InChI is InChI=1S/C21H15N3O4/c25-23(26)20-8-1-4-16(14-20)10-12-18-6-3-7-19(22-18)13-11-17-5-2-9-21(15-17)24(27)28/h1-15H/b12-10+,13-11+.
What are the key properties of 2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine?
2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine has a molecular weight of 373.37 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine is sourced from PubChem (CID 6047556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).